(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one

C15H28O3Si — CID 23726490

IUPAC(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one
SMILESC=C(C)[C@@H](C[C@H]1OC(=O)[C@@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-10(2)12(9-13-11(3)14(16)17-13)18-19(7,8)15(4,5)6/h11-13H,1,9H2,2-8H3/t11-,12-,13-/m1/s1
InChIKeyHBIFXYXNSSLMQI-JHJVBQTASA-N
MW284.47 g/mol
LogP3.90
Rot. Bonds5

About (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one

(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one (PubChem CID 23726490) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one
PubChem CID23726490
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one
SMILESC=C(C)[C@@H](C[C@H]1OC(=O)[C@@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-10(2)12(9-13-11(3)14(16)17-13)18-19(7,8)15(4,5)6/h11-13H,1,9H2,2-8H3/t11-,12-,13-/m1/s1
InChIKeyHBIFXYXNSSLMQI-JHJVBQTASA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]oxetan-2-one
CID 11818517
(3S,4S)-4-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxyhept-5-enyl]-3-hexyloxetan-2-one
CID 11974402
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]oxetan-2-one
CID 23726491
(3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one
CID 46201376
5-O-ethyl 1-O,1-O-dimethyl 4-triethylsilyloxyhex-5-ene-1,1,5-tricarboxylate
CID 101457034

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one?
The IUPAC name of (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one (CID 23726490) is (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one.
What is the SMILES notation for (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one?
The canonical SMILES for (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one is C=C(C)[C@@H](C[C@H]1OC(=O)[C@@H]1C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one?
The InChIKey is HBIFXYXNSSLMQI-JHJVBQTASA-N. The full InChI is InChI=1S/C15H28O3Si/c1-10(2)12(9-13-11(3)14(16)17-13)18-19(7,8)15(4,5)6/h11-13H,1,9H2,2-8H3/t11-,12-,13-/m1/s1.
What are the key properties of (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one?
(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one has a molecular weight of 284.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-3-enyl]-3-methyloxetan-2-one is sourced from PubChem (CID 23726490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).